2-hydroxy-2-methyl-1-(2-nitrophenyl)propan-1-one

C10H11NO4 — CID 54210618

IUPAC2-hydroxy-2-methyl-1-(2-nitrophenyl)propan-1-one
SMILESCC(C)(O)C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H11NO4/c1-10(2,13)9(12)7-5-3-4-6-8(7)11(14)15/h3-6,13H,1-2H3
InChIKeyPVRQBHVYGXIHPY-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.55
Rot. Bonds3

About 2-hydroxy-2-methyl-1-(2-nitrophenyl)propan-1-one

2-hydroxy-2-methyl-1-(2-nitrophenyl)propan-1-one (PubChem CID 54210618) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-(2-nitrophenyl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-(2-nitrophenyl)propan-1-one
PubChem CID54210618
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-hydroxy-2-methyl-1-(2-nitrophenyl)propan-1-one
SMILESCC(C)(O)C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H11NO4/c1-10(2,13)9(12)7-5-3-4-6-8(7)11(14)15/h3-6,13H,1-2H3
InChIKeyPVRQBHVYGXIHPY-UHFFFAOYSA-N
XLogP1.55
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
(3-hydroxy-2,3-dimethylbutan-2-yl) 2-nitrobenzoate
CID 11032833
benzene;2-nitrobenzoic acid
CID 19891435
tert-butyl 2-nitrobenzoate;ethane
CID 142865512
ethane;methane;1-(2-nitrophenyl)ethanone
CID 161143607
N'-tert-butyl-2-nitrobenzohydrazide
CID 15617770
sodium;2-nitrobenzamide;chloride;hydrochloride
CID 67948148
fluoromethane;methyl 2-nitrobenzoate;1,1,1-trifluoroethane
CID 159234474
sodium;hydride;2-nitrobenzoic acid
CID 173210089
(2-nitrobenzoyl) 2-nitrobenzoate
CID 548654
N-(3,3-dimethyl-2-oxobutyl)-2-nitrobenzamide
CID 64991410
[(2-nitrobenzoyl)amino]urea
CID 61061190

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-(2-nitrophenyl)propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-(2-nitrophenyl)propan-1-one (CID 54210618) is 2-hydroxy-2-methyl-1-(2-nitrophenyl)propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-(2-nitrophenyl)propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-(2-nitrophenyl)propan-1-one is CC(C)(O)C(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-hydroxy-2-methyl-1-(2-nitrophenyl)propan-1-one?
The InChIKey is PVRQBHVYGXIHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-10(2,13)9(12)7-5-3-4-6-8(7)11(14)15/h3-6,13H,1-2H3.
What are the key properties of 2-hydroxy-2-methyl-1-(2-nitrophenyl)propan-1-one?
2-hydroxy-2-methyl-1-(2-nitrophenyl)propan-1-one has a molecular weight of 209.20 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-(2-nitrophenyl)propan-1-one is sourced from PubChem (CID 54210618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).